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2114-14-9 | 2-Propen-1-ol, 2-methyl-, 1-carbamate
CAS No: 2114-14-9 Catalog No: AG002LC4 MDL No:MFCD00025465
Product Description
Catalog Number:
AG002LC4
Chemical Name:
2-Propen-1-ol, 2-methyl-, 1-carbamate
CAS Number:
2114-14-9
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD00025465
IUPAC Name:
2-methylprop-2-enyl carbamate
InChI:
InChI=1S/C5H9NO2/c1-4(2)3-8-5(6)7/h1,3H2,2H3,(H2,6,7)
InChI Key:
MNPKKYZUEZVQNJ-UHFFFAOYSA-N
SMILES:
CC(=C)COC(=O)N
UNII:
0CB506VO6N
NSC Number:
66325
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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