Methyl 2- (3-Formylphenyl) acetate

CAT: 0926-SFA32744-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SFA32744-01Size:100 mg

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CAS Number

142327-44-4

MDL Number

MFCD15523582

Smiles

COC (=O) CC1=CC (=CC=C1) C=O

Molecular Formula

C10H10O3

Molecular Weight

178.18 g/mol

Controlled

Chemical Information

Methyl 2-(3-formylphenyl)acetate

CAS Number	142327-44-4
PubChem CID	11819590
IUPAC Name	methyl 2-(3-formylphenyl)acetate
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	1.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	189

SMILES

COC(=O)CC1=CC(=CC=C1)C=O

InChI

InChI=1S/C10H10O3/c1-13-10(12)6-8-3-2-4-9(5-8)7-11/h2-5,7H,6H2,1H3

InChIKey

FFUBFLSGFOHPKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142327-44-4

CID: 11819590

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189
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

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