Methyl (E) -3- (3-aminophenyl) acrylate

CAT: 0926-NGA48710Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-NGA48710Size:5 g

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CAS Number

163487-10-3

MDL Number

MFCD20527968

Smiles

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

Molecular Formula

C10H11NO2

Molecular Weight

177.2 g/mol

Controlled

Chemical Information

methyl (E)-3-(3-aminophenyl)acrylate

CAS Number	163487-10-3
PubChem CID	12394366
IUPAC Name	methyl (E)-3-(3-aminophenyl)prop-2-enoate
Molecular Formula	C10H11NO2
Molecular Weight	177.20
XLogP	1.5
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	201

SMILES

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

InChI

InChI=1S/C10H11NO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,11H2,1H3/b6-5+

InChIKey

VCSGRXIKJCLEAN-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 163487-10-3

CID: 12394366

Formula: C10H11NO2

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	177.078978594
Monoisotopic Mass	177.078978594
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201
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

Catalog	Name
WCA20517-01	(E) -Methyl 3- (4-bromophenyl) acrylate
AEA89110-01	(E) -Methyl 3- (4-Fluorophenyl) Acrylate
GDA12449	(E) -Methyl 3- (pyridin-4-yl) acrylate
YHA19525	Trans-3- (4-aminophenyl) acrylate ethyl ester
FB68022-01	3-Bromo-2-methyl-methyl acrylate
KBA41808-01	Methyl 3- (3-aminophenyl) propanoate
VAA88395-01	Methyl 3- (3,4-dichlorophenyl) acrylate
FM168867-01	Methyl 3- (4-isopropylphenyl) acrylate
FM31102	Methyl trans -3-methoxy acrylate
FM01240-01	Methyl acrylate

Catalog	Name
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sc-311400A	Methyl 3- (4-bromophenyl) acrylate