4-Formylphenyl 2-propenoate

CAT: 0127-OR1101319-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1101319-01Size:250 mg

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CAS Number

41704-79-4

Purity

95%

Smiles

C=CC (=O) OC1=CC=C (C=C1) C=O

Chemical Information

(4-formylphenyl) Prop-2-enoate

CAS Number	41704-79-4
PubChem CID	4136856
IUPAC Name	(4-formylphenyl) prop-2-enoate
Molecular Formula	C10H8O3
Molecular Weight	176.17
XLogP	1.7
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	202

SMILES

C=CC(=O)OC1=CC=C(C=C1)C=O

InChI

InChI=1S/C10H8O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h2-7H,1H2

InChIKey

VHWODBMMITZQQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41704-79-4

CID: 4136856

Formula: C10H8O3

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	176.047344113
Monoisotopic Mass	176.047344113
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
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
OR14211-01	2- (4-Formylphenyl) isonicotinonitrile
OR954783	2- (4-Formylphenyl) phenol
OR954780-01	4- (2-Formylphenyl) phenol
OR53129-01	2- (4-Formylphenyl) acetonitrile
OR1101786-01	4-Formylphenyl 2-chlorobenzoate
OR1052523-01	2-Formylphenyl 4-methylbenzenesulfonate
OR1070145-01	Ethyl 3- (4-formylphenyl) propanoate
OR97787	2-Bromo-4-formylphenyl acetate
OR72726-01	2- (4-formylphenyl) acetic Acid
OR1045138-01	N- (2-Formylphenyl) -4-methylbenzenesulfonamide

Catalog	Name
FB183536	4-Bromophenyl 2-propenoate
FCA21174-01	2- (4-Formylphenyl) acetonitrile
sc-316466	4-Formylphenyl 2-chlorobenzoate
sc-259209A	2- (4-Formylphenyl) pyrimidine
sc-320814	2- (4-Formylphenyl) isonicotinonitrile
428638-01	4- (2-Formylphenyl) phenol
sc-316468	4-Formylphenyl 2,4-dichlorobenzoate
429186-01	4- (4-Formylphenyl) -2-methoxybenzaldehyde
413803-01	2- (4-Formylphenyl) phenol
sc-308014	2-Formylphenyl 4-methylbenzenesulfonate