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116173-69-4 | Carbamic acid, (1-methoxy-3-butenyl)-, methyl ester (9CI)
CAS No: 116173-69-4 Catalog No: AG000BU2 MDL No:
Product Description
Catalog Number:
AG000BU2
Chemical Name:
Carbamic acid, (1-methoxy-3-butenyl)-, methyl ester (9CI)
CAS Number:
116173-69-4
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
methyl N-(1-methoxybut-3-enyl)carbamate
InChI:
InChI=1S/C7H13NO3/c1-4-5-6(10-2)8-7(9)11-3/h4,6H,1,5H2,2-3H3,(H,8,9)
InChI Key:
YAGDMUZDKSVXGW-UHFFFAOYSA-N
SMILES:
COC(NC(=O)OC)CC=C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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