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101926-93-6 | Carbamic acid, (3-hydroxy-2,2-dimethyl-4-pentenyl)-, methyl ester (9CI)
CAS No: 101926-93-6 Catalog No: AG0005Y9 MDL No:
Product Description
Catalog Number:
AG0005Y9
Chemical Name:
Carbamic acid, (3-hydroxy-2,2-dimethyl-4-pentenyl)-, methyl ester (9CI)
CAS Number:
101926-93-6
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
methyl N-(3-hydroxy-2,2-dimethylpent-4-enyl)carbamate
InChI:
InChI=1S/C9H17NO3/c1-5-7(11)9(2,3)6-10-8(12)13-4/h5,7,11H,1,6H2,2-4H3,(H,10,12)
InChI Key:
VWHARZLBCUCSMZ-UHFFFAOYSA-N
SMILES:
COC(=O)NCC(C(C=C)O)(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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