2- (Cyclopropylmethyl) propanedioic acid

CAT: 0926-QGA31963-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QGA31963-01Size:50 mg

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CAS Number

165319-63-1

MDL Number

MFCD03003347

Smiles

C1CC1CC (C (=O) O) C (=O) O

Molecular Formula

C7H10O4

Molecular Weight

158.15 g/mol

Controlled

Chemical Information

2-(Cyclopropylmethyl)propanedioic acid

CAS Number	165319-63-1
PubChem CID	55250612
IUPAC Name	2-(cyclopropylmethyl)propanedioic acid
Molecular Formula	C7H10O4
Molecular Weight	158.15
XLogP	1
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	169

SMILES

C1CC1CC(C(=O)O)C(=O)O

InChI

InChI=1S/C7H10O4/c8-6(9)5(7(10)11)3-4-1-2-4/h4-5H,1-3H2,(H,8,9)(H,10,11)

InChIKey

NORXNBYHOOVBLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165319-63-1

CID: 55250612

Formula: C7H10O4

MW: 158.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.15
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	158.05790880
Monoisotopic Mass	158.05790880
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	169
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
FJB65853-01	2- (3-Methoxyphenyl) propanedioic acid
ICA38012-01	2-[ (2-Bromophenyl) methyl]propanedioic acid
EAA47524-01	2- (Thiophen-2-ylmethyl) propanedioic acid
ZDA78324-01	2- (2,2,2-Trifluoroethyl) propanedioic acid
PED67286-01	(2-Cyclopropylethyl) (cyclopropylmethyl) amine hydrochloride
YFB09997-01	2-[ (Cyclopropylmethyl) carbamoyl]acetic acid
EEC95108-01	2- (Oxolan-3-yl) propanedioic acid
BBA41526-01	2- (Thiophen-3-ylmethyl) propanedioic acid
XPD10675-01	2- (3-Aminopropyl) propanedioic acid hydrochloride
DXC61218-01	2- (6-Oxopiperidin-2-yl) propanedioic acid

Catalog	Name
MBS392434-01	Propanedioic Acid
DK HD 0022-01	2- (cyclohexylmethyl) propanedioic acid
AL BE 1371-01	2- (3-bromophenyl) propanedioic acid
AL BE 0611-01	2- (4-chlorophenyl) propanedioic acid
AL BE 1248-01	2- (3-chlorophenyl) propanedioic acid
RG-A261196-01	Propanedioic Acid, Diethyl 2-Aminomalonate
287342-01	Propanedioic acid 1-methyl ester
423160-01	3- (Cyclopropylmethyl) thiophenylboronic acid
sc-294141	[ (cyclopropylmethyl) thio]acetic acid
OR306561	1- (Cyclopropylmethyl) cyclopropanecarboxylic acid