3- (Cyclopropylmethoxy) benzaldehyde

CAT: 0926-ICA98661-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-ICA98661-01Size:250 mg

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CAS Number

58986-61-1

MDL Number

MFCD06246720

Smiles

C1CC1COC2=CC=CC (=C2) C=O

Molecular Formula

C11H12O2

Molecular Weight

176.22 g/mol

Controlled

Chemical Information

3-(Cyclopropylmethoxy)benzaldehyde

CAS Number	58986-61-1
PubChem CID	22048270
IUPAC Name	3-(cyclopropylmethoxy)benzaldehyde
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	2.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	175

SMILES

C1CC1COC2=CC=CC(=C2)C=O

InChI

InChI=1S/C11H12O2/c12-7-10-2-1-3-11(6-10)13-8-9-4-5-9/h1-3,6-7,9H,4-5,8H2

InChIKey

ZBNWASQXYKQQPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58986-61-1

CID: 22048270

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PGA52099	4- (Cyclopropylmethoxy) benzaldehyde
ECA28077-01	2- (Cyclopropylmethoxy) benzaldehyde
IKB51913-01	5-Chloro-2- (cyclopropylmethoxy) benzaldehyde
HMB70241-01	3- (Cyclopropylmethoxy) pyrrolidine
WMB72559-01	3- (Cyclopropylmethoxy) piperidine
LRA22988-01	[3- (Cyclopropylmethoxy) phenyl]methanol
UQB52150-01	3- (Cyclopropylmethoxy) propanoic acid
XRB68061-01	3- (Cyclopropylmethoxy) benzoic acid
CMB80315-01	3-[ (Cyclopropylmethoxy) methyl]aniline
XZB55737-01	3- (Cyclopropylmethoxy) oxan-4-ol

Catalog	Name
sc-310213	3- (Cyclopropylmethoxy) benzaldehyde
OR1092770-01	2- (Cyclopropylmethoxy) benzaldehyde
OR96514-01	4- (Cyclopropylmethoxy) benzaldehyde
OR1100466-01	4- (Benzyloxy) -3- (cyclopropylmethoxy) benzaldehyde
OR1082991-01	3,4-Bis (cyclopropylmethoxy) benzaldehyde
OR1082081-01	3-chloro-5- (cyclopropylmethoxy) benzaldehyde
OR1082054-01	4-chloro-3- (cyclopropylmethoxy) benzaldehyde
PC1010195-01	2- (cyclopropylmethoxy) -4- (trifluoromethyl) benzaldehyde
TRC-C997794-25MG	4-(Cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
OR1082053-01	3-chloro-2- (cyclopropylmethoxy) benzaldehyde