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1135-16-6 | 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (Z)- (9CI)
CAS No: 1135-16-6 Catalog No: AG0008SH MDL No:
Product Description
Catalog Number:
AG0008SH
Chemical Name:
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (Z)- (9CI)
CAS Number:
1135-16-6
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)
InChI Key:
QURCVMIEKCOAJU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)/C=C\C(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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