(E) -3- (2-Formylphenyl) Acrylic Acid

CAT: 1299-RG-A263070-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A263070-01Size:10 mg

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CAS Number

130036-17-8

Synonyms

(E) -3- (2-formylphenyl) acrylic acid

Molecular Formula

C10H8O3

Molecular Weight

176.17

Product Name Synonym

(E) -3- (2-formylphenyl) acrylic acid

Chemical Information

2-Formylcinnamic acid

CAS Number	130036-17-8
PubChem CID	13628357
IUPAC Name	(E)-3-(2-formylphenyl)prop-2-enoic acid
Molecular Formula	C10H8O3
Molecular Weight	176.17
XLogP	1.3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	220

SMILES

C1=CC=C(C(=C1)/C=C/C(=O)O)C=O

InChI

InChI=1S/C10H8O3/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-7H,(H,12,13)/b6-5+

InChIKey

ZIUMNQBNEUJSSL-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 130036-17-8

CID: 13628357

Formula: C10H8O3

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	176.047344113
Monoisotopic Mass	176.047344113
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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