4- (1,2-Dihydroxyethyl) benzaldehyde

CAT: 0127-OR1100581-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1100581-01Size:250 mg

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CAS Number

1891165-81-3

Purity

95%

Smiles

O=Cc1ccc (C (O) CO) cc1

Chemical Information

4-(1,2-Dihydroxyethyl)benzaldehyde

CAS Number	1891165-81-3
PubChem CID	57232092
IUPAC Name	4-(1,2-dihydroxyethyl)benzaldehyde
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	-0.2
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	139

SMILES

C1=CC(=CC=C1C=O)C(CO)O

InChI

InChI=1S/C9H10O3/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-5,9,11-12H,6H2

InChIKey

CJPGGMWLPRAPKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1891165-81-3

CID: 57232092

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1032005-01	4- (1,2-Dihydroxyethyl) benzene-1,2-diol
PC1007528-01	4- (2,2,2-Trifluoro-1,1-dihydroxyethyl) benzonitrile
OR31032	4- (1,2-Dimethylpropyl) benzaldehyde
OR79588-01	4- (1,2,2-Triphenylvinyl) benzaldehyde
PC49826-01	4- (1,1,2,2,2-Pentafluoroethoxy) benzaldehyde
PC1016680	4- (1- (2,4-difluorophenyl) ethyl) benzaldehyde
OR1095321-01	4- (2-Methyl-1-oxopropyl) benzaldehyde
OR1094604-01	4- (2-Propen-1-ylthio) benzaldehyde
OR1094677	2-Chloro-4- (1-pyrrolidinyl) benzaldehyde
PC110280-01	2-Fluoro-4- (1-piperidinyl) benzaldehyde

Catalog	Name
017986	2- (1-Naphthalenyl) benzaldehyde
MBS6024238-01	2-(1-Naphthalenyl)benzaldehyde
HWC54366-01	2- (1,1-Difluoroethyl) benzaldehyde
412988-01	2- (1,1,2,2-Tetrafluoroethoxy) benzaldehyde
412989-01	2- (1,2-Dihydroacenaphthylen-1-yl) benzaldehyde
T30323-01	Benzaldehyde, 3- (1,1,2,2-tetrafluoroethoxy) -
sc-259354A	2- (Pyrrolidin-1-yl) benzaldehyde
TRC-D481330-250MG	4-(1,2-Dimethylpropyl)benzaldehyde
sc-232203	4- (1,1,2,2-Tetrafluoroethoxy) benzaldehyde
ICA02874	2-Pyrrolidin-1-yl-benzaldehyde